Crystallography Open Database

Information card for entry 7027043

Preview

Coordinates	7027043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H27 Cl2 Mn N4 O3
Calculated formula	C23 H27 Cl2 Mn N4 O3
Title of publication	Synthesis and characterisation of manganese(II) compounds with tetradentate ligands based on the bispidine backbone
Authors of publication	Comba, Peter; Kanellakopulos, Basil; Katsichtis, Charis; Lienke, Achim; Pritzkow, Hans; Rominger, Frank
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	23
Pages of publication	3997
a	33.556 ± 0.0009 Å
b	9.4762 ± 0.0003 Å
c	31.4442 ± 0.0009 Å
α	90°
β	109.619 ± 0.001°
γ	90°
Cell volume	9418.3 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1553
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1401
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179976 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/70.	7027043.cif
94929	2014-01-28	cif/ Adding structures of 7027042, 7027043 via cif-deposit CGI script.	7027043.cif